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Author Martens, T.; Brok, W.J.M.; van Dijk, J.; Bogaerts, A.
Title Improving dielectric barrier discharge efficiency by optimizing voltage profiles Type P1 Proceeding
Year 2009 Publication Abbreviated Journal
Volume Issue Pages 95-98
Keywords P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
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Corporate Author Thesis
Publisher Place of Publication S.l. Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record; WoS full record;
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:85693 Serial 1570
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Author Aerts, R.; Snoeckx, R.; Bogaerts, A.
Title In-situ chemical trapping of oxygen in the splitting of carbon dioxide by plasma Type A1 Journal article
Year 2014 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym
Volume 11 Issue 10 Pages 985-992
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
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Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000344180900008 Publication Date 2014-08-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1612-8850; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.846 Times cited 29 Open Access
Notes Approved Most recent IF: 2.846; 2014 IF: 2.453
Call Number UA @ lucian @ c:irua:118302 Serial 1575
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Author Yusupov, M.; Neyts, E.C.; Verlackt, C.C.; Khalilov, U.; van Duin, A.C.T.; Bogaerts, A.
Title Inactivation of the endotoxic biomolecule lipid A by oxygen plasma species : a reactive molecular dynamics study Type A1 Journal article
Year 2015 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym
Volume 12 Issue 12 Pages 162-171
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Reactive molecular dynamics simulations are performed to study the interaction of reactive oxygen species, such as OH, HO2 and H2O2, with the endotoxic biomolecule lipid A of the gram-negative bacterium Escherichia coli. It is found that the aforementioned plasma species can destroy the lipid A, which consequently results in reducing its toxic activity. All bond dissociation events are initiated by hydrogen-abstraction reactions. However, the mechanisms behind these dissociations are dependent on the impinging plasma species, i.e. a clear difference is observed in the mechanisms upon impact of HO2 radicals and H2O2 molecules on one hand and OH radicals on the other hand. Our simulation results are in good agreement with experimental observations.
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Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000350275400005 Publication Date 2014-09-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1612-8850; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.846 Times cited 18 Open Access
Notes Approved Most recent IF: 2.846; 2015 IF: 2.453
Call Number c:irua:123540 Serial 1589
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Author Okhrimovskyy, A.; Bogaerts, A.; Gijbels, R.
Title Incorporating the gas flow in a numerical model of rf discharges in methane Type A1 Journal article
Year 2004 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 96 Issue 6 Pages 3070-3076
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
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Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000223720000005 Publication Date 2004-09-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.068 Times cited 11 Open Access
Notes Approved Most recent IF: 2.068; 2004 IF: 2.255
Call Number UA @ lucian @ c:irua:48102 Serial 1596
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Author Somers, W.; Dubreuil, M.F.; Neyts, E.C.; Vangeneugden, D.; Bogaerts, A.
Title Incorporation of fluorescent dyes in atmospheric pressure plasma coatings for in-line monitoring of coating homogeneity Type A1 Journal article
Year 2014 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym
Volume 11 Issue 7 Pages 678-684
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract This paper reports on the incorporation of three commercial fluorescent dyes, i.e., rhodamine 6G, fluorescein, and fluorescent brightener 184, in plasma coatings, by utilizing a dielectric barrier discharge (DBD) reactor, and the subsequent monitoring of the coatings homogeneity based on the emitted fluorescent light. The plasma coatings are qualitatively characterized with fluorescence microscopy, UVvis spectroscopy and profilometry for the determination of the coating thickness. The emitted fluorescent light of the coating correlates to the amount of dye per area, and deviations of these factors can hence be observed by monitoring the intensity of this light. This allows monitoring the homogeneity of the plasma coatings in a fast and simple way, without making major adjustments to the process.
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Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000340416300007 Publication Date 2014-05-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1612-8850; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.846 Times cited 3 Open Access
Notes Approved Most recent IF: 2.846; 2014 IF: 2.453
Call Number UA @ lucian @ c:irua:118063 Serial 1598
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Author Jehanathan, N.; Georgieva, V.; Saraiva, M.; Depla, D.; Bogaerts, A.; Van Tendeloo, G.
Title The influence of Cr and Y on the micro structural evolution of Mg―Cr―O and Mg―Y―O thin films Type A1 Journal article
Year 2011 Publication Thin solid films : an international journal on the science and technology of thin and thick films Abbreviated Journal Thin Solid Films
Volume 519 Issue 16 Pages 5388-5396
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Electron microscopy for materials research (EMAT)
Abstract The compositional influence of Cr and Y on the microstructure of Mg―Cr―O, and Mg―Y―O films synthesized by reactive magnetron sputtering has been investigated by transmission electron microscopy, X-ray diffraction and molecular dynamics simulations. A decrease in crystallinity is observed in these films as the M (Cr or Y) content is increased. It is found that M forms a solid solution with MgO for metal ratios up to ~ 70% and ~ 50% for Cr and Y respectively. Above ~ 70% Cr metal ratio the Mg―Cr―O films are found to be completely amorphous. The Mg―Y―O films are composed of Mg(Y)O and Y2O3 nano crystallites, up to ~ 50% Y metal ratio. Above this ratio, only Y2O3 nano crystallites are found. The preferential < 111> MgO grain alignment is strongly affected by the increase in M content. For M metal ratios up to ~ 50%, there is a selective promotion of the < 100> MgO grain alignments and a decline in the < 111> grain alignments.
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Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000292573500013 Publication Date 2011-02-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0040-6090; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.879 Times cited 4 Open Access
Notes Iwt Approved Most recent IF: 1.879; 2011 IF: 1.890
Call Number UA @ lucian @ c:irua:89516 Serial 1618
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Author Kolev, I.; Bogaerts, A.; Gijbels, R.
Title Influence of electron recapture by the cathode upon the discharge characteristics in dc planar magnetrons Type A1 Journal article
Year 2005 Publication Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics Abbreviated Journal Phys Rev E
Volume 72 Issue Pages 056402,1-11
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In dc magnetrons the electrons emitted from the cathode may return there due to the applied magnetic field. When that happens, they can be recaptured or reflected back into the discharge, depending on the value of the reflection coefficient (RC). A 2d3v (two-dimensional in coordinate and three-dimensional in velocity space) particle-in-cellMonte Carlo model, including an external circuit, is developed to determine the role of the electron recapture in the discharge processes. The detailed discharge structure as a function of RC for two pressures (4 and 25mtorr) is studied. The importance of electron recapture is clearly manifested, especially at low pressures. The results indicate that the discharge characteristics are dramatically changed with varying RC between 0 and 1. Thus, the electron recapture at the cathode appears to be a significant mechanism in magnetron discharges and RC a very important parameter in their correct quantitative description that should be dealt with cautiously.
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Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000233603200089 Publication Date 2005-11-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1539-3755;1550-2376; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.366 Times cited 29 Open Access
Notes Approved Most recent IF: 2.366; 2005 IF: 2.418
Call Number UA @ lucian @ c:irua:54667 Serial 1621
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Author Martens, T.; Bogaerts, A.; Brok, W.J.M.; van Dijk, J.
Title The influence of impurities on the performance of the dielectric barrier discharge Type A1 Journal article
Year 2010 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 96 Issue 9 Pages 091501,1-091501,3
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In this letter, we investigate the effect of various levels of nitrogen impurity on the electrical performance of an atmospheric pressure dielectric barrier discharge in helium. We illustrate the different current profiles that are obtained, which exhibit one or more discharge pulses per half cycle and evaluate their performance in ionizing the discharge and dissipating the power. It is shown that flat and broad current profiles perform the best in ionizing the discharge and use the least amount of power per generated charged particle.
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Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000275246200008 Publication Date 2010-03-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-6951; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.411 Times cited 28 Open Access
Notes Approved Most recent IF: 3.411; 2010 IF: 3.841
Call Number UA @ lucian @ c:irua:80944 Serial 1624
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Author Neyts, E.; Bogaerts, A.
Title Influence of internal energy and impact angle on the sticking behaviour of reactive radicals in thin a-C:H film growth: a molecular dynamics study Type A1 Journal article
Year 2006 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
Volume 8 Issue 17 Pages 2066-2071
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
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Publisher Place of Publication Cambridge Editor
Language Wos 000236970300011 Publication Date 2006-03-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1463-9076;1463-9084; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.123 Times cited 7 Open Access
Notes Approved Most recent IF: 4.123; 2006 IF: 2.892
Call Number UA @ lucian @ c:irua:57353 Serial 1625
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Author Bogaerts, A.; Naylor, J.; Hatcher, M.; Jones, W.J.; Mason, R.
Title Influence of sticking coefficients on the behavior of sputtered atoms in an argon glow discharge: modeling and comparison with experiment Type A1 Journal article
Year 1998 Publication Journal of vacuum science and technology: A: vacuum surfaces and films Abbreviated Journal J Vac Sci Technol A
Volume 16 Issue 4 Pages 2400-2410
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
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Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000074852700061 Publication Date 2002-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0734-2101; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.374 Times cited 12 Open Access
Notes Approved Most recent IF: 1.374; 1998 IF: 1.612
Call Number UA @ lucian @ c:irua:24124 Serial 1634
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Author Snoeckx, R.; Setareh, M.; Aerts, R.; Simon, P.; Maghari, A.; Bogaerts, A.
Title Influence of N2 concentration in a CH4/N2 dielectric barrier discharge used for CH4 conversion into H2 Type A1 Journal article
Year 2013 Publication International journal of hydrogen energy Abbreviated Journal Int J Hydrogen Energ
Volume 38 Issue 36 Pages 16098-16120
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract We present a combined study of experimental and computational work for a dielectric barrier discharge (DBD) used for CH4 conversion into H2. More specifically, we investigated the influence of N2 as an impurity (150,000 ppm) and as additive gas (199%) on the CH4 conversion and H2 yield. For this purpose, a zero-dimensional chemical kinetics model is applied to study the plasma chemistry. The calculated conversions and yields for various gas mixing ratios are compared to the obtained experimental values, and good agreement is achieved. The study reveals the significance of the View the MathML source and View the MathML source metastable states for the CH4 conversion into H2, based on a kinetic analysis of the reaction chemistry.
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Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000327904500027 Publication Date 2013-10-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0360-3199; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.582 Times cited 40 Open Access
Notes Approved Most recent IF: 3.582; 2013 IF: 2.930
Call Number UA @ lucian @ c:irua:111372 Serial 1642
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Author Derzsi, A.; Donko, Z.; Bogaerts, A.; Hoffmann, V.
Title The influence of the secondary electron emission coefficient and effect of the gas heating on the calculated electrical characteristics of a grimm type glow discharge cell Type P1 Proceeding
Year 2008 Publication Abbreviated Journal
Volume Issue Pages 285-288
Keywords P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Electron emission properties of cathode surfaces affect considerably the electrical characteristics of glow discharges. Using a heavy-particle hybrid model ill 2 dimensions, we investigate the influence of the secondary electron emission coefficient gamma oil the calculated discharge characteristics for both 'clean' and 'dirty' cathode surface conditions, and assuming a constant gamma parameter as well. The effect of the gas heating and the role of the heavy particles reflected from the cathode on this process is also studied.
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Publisher Astronomical Observatory Place of Publication Belgrade Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume 2008 Series Issue 84 Edition
ISSN 978-86-80019-27-7; 0373-3742 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:95705 Serial 1650
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Author Aerts, R.; Martens, T.; Bogaerts, A.
Title Influence of vibrational states on CO2 splitting by dielectric barrier discharges Type A1 Journal article
Year 2012 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 116 Issue 44 Pages 23257-23273
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In this paper, the splitting of CO2 in a pulsed plasma system, such as a dielectric barrier discharge (DBD), is evaluated from a chemical point of view by means of numerical modeling. For this purpose, a chemical reaction set of CO2 in an atmospheric pressure plasma is developed, including the vibrational states of CO2, O2, and CO. The simulated pulses are matched to the conditions of a filament (or microdischarge) and repeated with intervals of 1 μs. The influence of vibrationally excited CO2 as well as other neutral species, ions, and electrons on the CO2 splitting is discussed. Our calculations predict that the electrons have the largest contribution to the CO2 splitting at the conditions under study, by electron impact dissociation. The contribution of vibrationally excited CO2 levels in the splitting of CO2 is found be 6.4%, when only considering one microdischarge pulse and its afterglow, but it can be much higher for consecutive discharge pulses, as is typical for a filamentary DBD, when the interpulse time is short enough and accumulation effects in the vibrationally excited CO2 densities can occur.
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Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000310769300012 Publication Date 2012-10-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.536 Times cited 112 Open Access
Notes Approved Most recent IF: 4.536; 2012 IF: 4.814
Call Number UA @ lucian @ c:irua:101764 Serial 1659
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Author Neyts, E.C.; van Duin, A.C.T.; Bogaerts, A.
Title Insights in the plasma-assisted growth of carbon nanotubes through atomic scale simulations : effect of electric field Type A1 Journal article
Year 2012 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc
Volume 134 Issue 2 Pages 1256-1260
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Carbon nanotubes (CNTs) are nowadays routinely grown in a thermal CVD setup. State-of-the-art plasma-enhanced CVD (PECVD) growth, however, offers advantages over thermal CVD. A lower growth temperature and the growth of aligned freestanding single-walled CNTs (SWNTs) makes the technique very attractive. The atomic scale growth mechanisms of PECVD CNT growth, however, remain currently entirely unexplored. In this contribution, we employed molecular dynamics simulations to focus on the effect of applying an electric field on the SWNT growth process, as one of the effects coming into play in PECVD. Using sufficiently strong fields results in (a) alignment of the growing SWNTs, (b) a better ordering of the carbon network, and (c) a higher growth rate relative to thermal growth rate. We suggest that these effects are due to the small charge transfer occurring in the Ni/C system. These simulations constitute the first study of PECVD growth of SWNTs on the atomic level.
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Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000301084300086 Publication Date 2011-11-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0002-7863;1520-5126; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 13.858 Times cited 56 Open Access
Notes Approved Most recent IF: 13.858; 2012 IF: 10.677
Call Number UA @ lucian @ c:irua:97163 Serial 1673
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Author Eckert, M.; Neyts, E.; Bogaerts, A.
Title Insights into the growth of (ultra)nanocrystalline diamond by combined molecular dynamics and Monte Carlo simulations Type A1 Journal article
Year 2010 Publication Crystal growth & design Abbreviated Journal Cryst Growth Des
Volume 10 Issue 7 Pages 3005-3021
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In this paper, we present the results of combined molecular dynamics−Metropolis Monte Carlo (MD-MMC) simulations of hydrocarbon species at flat diamond (100)2 × 1 and (111)1 × 1 surfaces. The investigated species are considered to be the most important growth species for (ultra)nanocrystalline diamond ((U)NCD) growth. When applying the MMC algorithm to stuck species at monoradical sites, bonding changes are only seen for CH2. The sequence of the bond breaking and formation as put forward by the MMC simulations mimics the insertion of CH2 into a surface dimer as proposed in the standard growth model of diamond. For hydrocarbon species attached to two adjacent radical (biradical) sites, the MMC simulations give rise to significant changes in the bonding structure. For UNCD, the combinations of C3 and C3H2, and C3 and C4H2 (at diamond (100)2 × 1) and C and C2H2 (at diamond (111)1 × 1) are the most successful in nucleating new crystal layers. For NCD, the following combinations pursue the diamond structure the best: C2H2 and C3H2 (at diamond (100)2 × 1) and CH2 and C2H2 (at diamond (111)1 × 1). The different behaviors of the hydrocarbon species at the two diamond surfaces are related to the different sterical hindrances at the diamond surfaces.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000279422700032 Publication Date 2010-05-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1528-7483;1528-7505; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.055 Times cited 13 Open Access
Notes Approved Most recent IF: 4.055; 2010 IF: 4.390
Call Number UA @ lucian @ c:irua:83065 Serial 1675
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Author Van der Paal, J.; Aernouts, S.; van Duin, A.C.T.; Neyts, E.C.; Bogaerts, A.
Title Interaction of O and OH radicals with a simple model system for lipids in the skin barrier : a reactive molecular dynamics investigation for plasma medicine Type A1 Journal article
Year 2013 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys
Volume 46 Issue 39 Pages 395201
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Plasma medicine has been claimed to provide a novel route to heal wounds and regenerate skin, although very little is currently known about the elementary processes taking place. We carried out a series of ReaxFF-based reactive molecular dynamics simulations to investigate the interaction of O and OH radicals with lipids, more specifically with α-linolenic acid as a model for the free fatty acids present in the upper skin layer. Our calculations predict that the O and OH radicals most typically abstract a H atom from the fatty acids, which can lead to the formation of a conjugated double bond, but also to the incorporation of alcohol or aldehyde groups, thereby increasing the hydrophilic character of the fatty acids and changing the general lipid composition of the skin. Within the limitations of the investigated model, no formation of possibly toxic products was observed.
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Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000324810400007 Publication Date 2013-09-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-3727;1361-6463; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.588 Times cited 36 Open Access
Notes Approved Most recent IF: 2.588; 2013 IF: 2.521
Call Number UA @ lucian @ c:irua:109904 Serial 1684
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Author Cenian, A.; Chernukho, A.; Leys, C.; Bogaerts, A.
Title Interactions between DC plasma and HF fields Type P3 Proceeding
Year 2001 Publication Abbreviated Journal
Volume Issue Pages 389-392
Keywords P3 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
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Corporate Author Thesis
Publisher Place of Publication s.l. Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:34142 Serial 1685
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Author Somers, W.; Bogaerts, A.; van Duin, A.C.T.; Neyts, E.C.
Title Interactions of plasma species on nickel catalysts : a reactive molecular dynamics study on the influence of temperature and surface structure Type A1 Journal article
Year 2014 Publication Applied catalysis : B : environmental Abbreviated Journal Appl Catal B-Environ
Volume 154 Issue Pages 1-8
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Methane reforming by plasma catalysis is a complex process that is far from understood. It requires a multidisciplinary approach which ideally takes into account all effects from the plasma on the catalyst, and vice versa. In this contribution, we focus on the interactions of CHx (x = {1,2,3}) radicals that are created in the plasma with several nickel catalyst surfaces. To this end, we perform reactive molecular dynamics simulations, based on the ReaxFF potential, in a wide temperature range of 4001600 K. First, we focus on the H2 formation as a function of temperature and surface structure. We observe that substantial H2 formation is obtained at 1400 K and above, while the role of the surface structure seems limited. Indeed, in the initial stage, the type of nickel surface influences the CH bond breaking efficiency of adsorbed radicals; however, the continuous carbon diffusion into the surface gradually diminishes the surface crystallinity and therefore reduces the effect of surface structure on the H2 formation probability. Furthermore, we have also investigated to what extent the species adsorbed on the catalyst surface can participate in surface reactions more in general, for the various surface structures and as a function of temperature. These results are part of the ongoing research on the methane reforming by plasma catalysis, a highly interesting yet complex alternative to conventional reforming processes.
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Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000335098800001 Publication Date 2014-02-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0926-3373; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.446 Times cited 23 Open Access
Notes Approved Most recent IF: 9.446; 2014 IF: 7.435
Call Number UA @ lucian @ c:irua:114607 Serial 1686
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Author Mao, M.; Bogaerts, A.
Title Investigating the plasma chemistry for the synthesis of carbon nanotubes/nanofibres in an inductively coupled plasma enhanced CVD system : the effect of different gas mixtures Type A1 Journal article
Year 2010 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys
Volume 43 Issue 20 Pages 205201,1-205201,20
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract A hybrid model, called the hybrid plasma equipment model (HPEM), was used to study an inductively coupled plasma in gas mixtures of H2 or NH3 with CH4 or C2H2 used for the synthesis of carbon nanotubes or carbon nanofibres (CNTs/CNFs). The plasma properties are discussed for different gas mixtures at low and moderate pressures, and the growth precursors for CNTs/CNFs are analysed. It is found that C2H2, C2H4 and C2H6 are the predominant molecules in CH4 containing plasmas besides the feedstock gas, and serve as carbon sources for CNT/CNF formation. On the other hand, long-chain hydrocarbons are observed in C2H2-containing plasmas. Furthermore, the background gases CH4 and C2H2 show a different decomposition rate with H2 or NH3 addition at moderate pressures.
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Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000277373400009 Publication Date 2010-05-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-3727;1361-6463; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.588 Times cited 52 Open Access
Notes Approved Most recent IF: 2.588; 2010 IF: 2.109
Call Number UA @ lucian @ c:irua:82067 Serial 1723
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Author Mao, M.; Bogaerts, A.
Title Investigating the plasma chemistry for the synthesis of carbon nanotubes/nanofibres in an inductively coupled plasma-enhanced CVD system : the effect of processing parameters Type A1 Journal article
Year 2010 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys
Volume 43 Issue 31 Pages 315203-315203,15
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract A parameter study is carried out for an inductively coupled plasma used for the synthesis of carbon nanotubes or carbon nanofibres (CNTs/CNFs), by means of the Hybrid Plasma Equipment Model. The influence of processing parameters including gas ratio for four different gas mixtures typically used for CNT/CNF growth (i.e. CH4/H2, CH4/NH3, C2H2/H2 and C2H2/NH3), inductively coupled plasma (ICP) power (501000 W), operating pressure (10 mTorr1 Torr), bias power (01000 W) and temperature of the substrate (01000 °C) on the plasma chemistry is investigated and the optimized conditions for CNT/CNF growth are analysed. Summarized, our calculations suggest that a lower fraction of hydrocarbon gases (CH4 or C2H2, i.e. below 20%) and hence a higher fraction of etchant gases (H2 or NH3) in the gas mixture result in more 'clean' conditions for controlled CNT/CNF growth. The same applies to a higher ICP power, a moderate ICP gas pressure above 100 mTorr (at least for single-walled carbon nanotubes), a high bias power (for aligned CNTs) and an intermediate substrate temperature.
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Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000280275200007 Publication Date 2010-07-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-3727;1361-6463; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.588 Times cited 17 Open Access
Notes Approved Most recent IF: 2.588; 2010 IF: 2.109
Call Number UA @ lucian @ c:irua:88365 Serial 1724
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Author Aerts, R.; Tu, X.; De Bie, C.; Whitehead, J.C.; Bogaerts, A.
Title An investigation into the dominant reactions for ethylene destruction in non-thermal atmospheric plasmas Type A1 Journal article
Year 2012 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym
Volume 9 Issue 10 Pages 994-1000
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract A crucial step, which is still not well understood in the destruction of volatile organic compounds (VOCs) with low temperature plasmas, is the initiation of the process. Here, we present a kinetic model for the destruction of ethylene in low temperature plasmas that allows us to calculate the relative importance of all plasma species and their related reactions. Modifying the ethylene concentration and/or the SED had a major impact on the relative importance of the radicals (i.e., mainly atomic oxygen) and the metastable nitrogen (i.e., more specifically N2(equation image)) in the destruction process. Our results show that the direct destruction by electron impact reactions for ethylene can be neglected; however, we can certainly not neglect the influence of N2(equation image)).
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Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000309750300008 Publication Date 2012-07-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1612-8850; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.846 Times cited 46 Open Access
Notes Approved Most recent IF: 2.846; 2012 IF: 3.730
Call Number UA @ lucian @ c:irua:101765 Serial 1727
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Author Tinck, S.; Boullart, W.; Bogaerts, A.
Title Investigation of etching and deposition processes of Cl2/O2/Ar inductively coupled plasmas on silicon by means of plasmasurface simulations and experiments Type A1 Journal article
Year 2009 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys
Volume 42 Issue Pages 095204,1-095204,13
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In this paper, a simulation method is described to predict the etching behaviour of Cl2/O2/Ar inductively coupled plasmas on a Si substrate, as used in shallow trench isolation for the production of electronic devices. The hybrid plasma equipment model (HPEM) developed by Kushner et al is applied to calculate the plasma characteristics in the reactor chamber and two additional Monte Carlo simulations are performed to predict the fluxes, angles and energy of the plasma species bombarding the Si substrate, as well as the resulting surface processes such as etching and deposition. The simulations are performed for a wide variety of operating conditions such as gas composition, chamber pressure, power deposition and substrate bias. It is predicted by the simulations that when the fraction of oxygen in the gas mixture is too high, the oxidation of the Si substrate is superior to the etching of Si by chlorine species, resulting in an etch rate close to zero as is also observed in the experiments.
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Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000265531000030 Publication Date 2009-04-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-3727;1361-6463; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.588 Times cited 23 Open Access
Notes Approved Most recent IF: 2.588; 2009 IF: 2.083
Call Number UA @ lucian @ c:irua:75601 Serial 1731
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Author de Bleecker, K.; Bogaerts, A.; Goedheer, W.; Gijbels, R.
Title Investigation of growth mechanisms of clusters in a silane discharge with the use of a fluid model Type A1 Journal article
Year 2004 Publication IEEE transactions on plasma science Abbreviated Journal Ieee T Plasma Sci
Volume 32 Issue 2 Pages 691-698
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
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Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000222278400026 Publication Date 2004-06-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0093-3813; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.052 Times cited 29 Open Access
Notes Approved Most recent IF: 1.052; 2004 IF: 1.042
Call Number UA @ lucian @ c:irua:46379 Serial 1732
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Author Bogaerts, A.; Gijbels, R.; Grozeva, M.; Sabotinov, N.
Title Investigation of laser output power saturation in the He-Cu+ IR hollow cathode discharge laser by experiments and numerical modeling Type A1 Journal article
Year 2003 Publication Physica scripta Abbreviated Journal Phys Scripta
Volume T105 Issue Pages 90-97
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
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Corporate Author Thesis
Publisher Place of Publication Stockholm Editor
Language Wos 000184344900014 Publication Date 2003-07-31
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-8949; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.28 Times cited Open Access
Notes Approved Most recent IF: 1.28; 2003 IF: 0.688
Call Number UA @ lucian @ c:irua:44019 Serial 1733
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Author Kaganovich, I.; Misina, M.; Bogaerts, A.; Gijbels, R.
Title Investigation of the electron distribution functions in low pressure electron cyclotron resonance discharges Type H1 Book chapter
Year 1999 Publication Abbreviated Journal
Volume Issue Pages 543-544
Keywords H1 Book chapter; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
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Corporate Author Thesis
Publisher Kluwer Academic Place of Publication Dordrecht Editor
Language Wos 000081413700057 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record; WoS full record;
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:24926 Serial 1736
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Author Bogaerts, A.; Gijbels, R.
Title The ion- and atom-induced secondary electron emission yield: numerical study for the effect of clean and dirty cathode surfaces Type A1 Journal article
Year 2002 Publication Plasma sources science and technology Abbreviated Journal Plasma Sources Sci T
Volume 11 Issue Pages 27-36
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
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Corporate Author Thesis
Publisher Institute of Physics Place of Publication Bristol Editor
Language Wos 000174336300003 Publication Date 2002-08-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0963-0252;1361-6595; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.302 Times cited 51 Open Access
Notes Approved Most recent IF: 3.302; 2002 IF: 1.816
Call Number UA @ lucian @ c:irua:40184 Serial 1739
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Author Neyts, E.C.; Bogaerts, A.
Title Ion irradiation for improved graphene network formation in carbon nanotube growth Type A1 Journal article
Year 2014 Publication Carbon Abbreviated Journal Carbon
Volume 77 Issue Pages 790-795
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Ion irradiation of carbon nanotubes very often leads to defect formation. However, we have recently shown that Ar ion irradiation in a limited energy window of 1025 eV may enhance the initial cap nucleation process, when the carbon network is in contact with the metal nanocatalyst. Here, we employ reactive molecular dynamics simulations to demonstrate that ion irradiation in a higher energy window of 1035 eV may also heal network defects after the nucleation stage through a non-metal-mediated mechanism, when the carbon network is no longer in contact with the metal nanocatalyst. The results demonstrate the possibility of beneficially utilizing ions in e.g. plasma-enhanced chemical vapour deposition of carbon nanotubes.
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Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000340689400083 Publication Date 2014-06-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0008-6223; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.337 Times cited 7 Open Access
Notes Approved Most recent IF: 6.337; 2014 IF: 6.196
Call Number UA @ lucian @ c:irua:118062 Serial 1745
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Author Migoun, A.; Cenian, A.; Chernukho, A.; Bogaerts, A.; Gijbels, R.; Leys, C.
Title Ionization density in hydrocarbon flames: numerical modelling Type P3 Proceeding
Year 2004 Publication Abbreviated Journal
Volume Issue Pages 130-133
Keywords P3 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
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Corporate Author Thesis
Publisher Place of Publication S.l. Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:82306 Serial 1747
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Author Yan, M.; Bogaerts, A.; Gijbels, R.
Title Kinetic modeling of relaxation phenomena after photodetachment in a rf electronegative SiH4 discharge Type A1 Journal article
Year 2001 Publication Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics Abbreviated Journal Phys Rev E
Volume 63 Issue 2Part 2 Pages
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The global relaxation process after pulsed laser induced photodetachment in a rf electronegative SIH4 discharge is studied by a self-consistent kinetic one-dimensional particle-in-cell-Monte Carlo model. Our results reveal a comprehensive physical picture of the relaxation process, including the main plasma variables, after a perturbation up to the full recovery of the steady state. A strong influence of the photodetachment on the discharge is found, which results from an increase of the electron density, leading to a weaker bulk field, and hence to a drop in the high energy tail of the electron energy distribution function (EEDF), a reduction of the reaction rates of electron impact attachment and ionization, and a subsequent decrease of the positive and negative ion densities. All the plasma quantities related to electrons recover synchronously. The recovery time of the ion densities is about 1-2 orders of magnitude longer than that of the electrons due to different recovery mechanisms. The modeled behavior of all the charged particles agrees very well with experimental results from the literature. In addition, our work clarifies some unclear processes assumed in the literature, such as the relaxation of the EEDF, the evolution of the electric field, and the recovery of negative ions.
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Corporate Author Thesis
Publisher American Institute of Physics Place of Publication Woodbury (NY) Editor
Language Wos 000167022500057 Publication Date 2002-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1063-651X;1095-3787; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.366 Times cited 4 Open Access
Notes Approved Most recent IF: 2.366; 2001 IF: 2.235
Call Number UA @ lucian @ c:irua:34148 Serial 1757
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Author Van Gaens, W.; Bogaerts, A.
Title Kinetic modelling for an atmospheric pressure argon plasma jet in humid air Type A1 Journal article
Year 2013 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys
Volume 46 Issue 27 Pages 275201-275253
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract A zero-dimensional, semi-empirical model is used to describe the plasma chemistry in an argon plasma jet flowing into humid air, mimicking the experimental conditions of a setup from the Eindhoven University of Technology. The model provides species density profiles as a function of the position in the plasma jet device and effluent. A reaction chemistry set for an argon/humid air mixture is developed, which considers 84 different species and 1880 reactions. Additionally, we present a reduced chemistry set, useful for higher level computational models. Calculated species density profiles along the plasma jet are shown and the chemical pathways are explained in detail. It is demonstrated that chemically reactive H, N, O and OH radicals are formed in large quantities after the nozzle exit and H2, O2(1Δg), O3, H2O2, NO2, N2O, HNO2 and HNO3 are predominantly formed as 'long living' species. The simulations show that water clustering of positive ions is very important under these conditions. The influence of vibrational excitation on the calculated electron temperature is studied. Finally, the effect of varying gas temperature, flow speed, power density and air humidity on the chemistry is investigated.
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Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000320854700009 Publication Date 2013-06-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-3727;1361-6463; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.588 Times cited 115 Open Access
Notes Approved Most recent IF: 2.588; 2013 IF: 2.521
Call Number UA @ lucian @ c:irua:108725 Serial 1758
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